| SpectraBase Compound ID | Dl2tvWRNkW5 |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-3-5-6-7-12-21-17(19)15-10-8-9-14(13-15)16(18)20-11-4-2/h5-6,8-10,13H,3-4,7,11-12H2,1-2H3/b6-5- |
| InChIKey | FOBIQWNQQYRDHL-WAYWQWQTSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2tB1Q6flXQK |
|---|---|
| Name | Isophthalic acid, cis-hex-3-enyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-3-5-6-7-12-21-17(19)15-10-8-9-14(13-15)16(18)20-11-4-2/h5-6,8-10,13H,3-4,7,11-12H2,1-2H3/b6-5- |
| InChIKey | FOBIQWNQQYRDHL-WAYWQWQTSA-N |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCC)C(OCC\C=C/CC)=O |